N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

C23H22N4O2 — CID 4783507

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1OC
InChIInChI=1S/C23H22N4O2/c1-28-20-10-9-16(14-21(20)29-2)11-13-25-23-18-7-3-4-8-19(18)26-22(27-23)17-6-5-12-24-15-17/h3-10,12,14-15H,11,13H2,1-2H3,(H,25,26,27)
InChIKeyOUZMGVRJPXBGQB-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.36
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 4783507) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID4783507
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1OC
InChIInChI=1S/C23H22N4O2/c1-28-20-10-9-16(14-21(20)29-2)11-13-25-23-18-7-3-4-8-19(18)26-22(27-23)17-6-5-12-24-15-17/h3-10,12,14-15H,11,13H2,1-2H3,(H,25,26,27)
InChIKeyOUZMGVRJPXBGQB-UHFFFAOYSA-N
XLogP4.36
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (CID 4783507) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is COc1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is OUZMGVRJPXBGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-28-20-10-9-16(14-21(20)29-2)11-13-25-23-18-7-3-4-8-19(18)26-22(27-23)17-6-5-12-24-15-17/h3-10,12,14-15H,11,13H2,1-2H3,(H,25,26,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 386.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 4783507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).